SCHEMBL4473499

SCHEMBL4473499

CN1CC(c2cc3ccccc3s2)c2ccc(-c3nccs3)cc2C1I

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.47
SLC6A2 P23975 8/20 0.47
SLC6A3 Q01959 8/20 0.47
DRD2 P14416 1/20 0.34
SLC9A3 P48764 1/20 0.34
PDPK1 O15530 1/20 0.33
HCRTR1 O43613 3/20 0.32
HCRTR2 O43614 3/20 0.32
CHRNA7 P36544 2/20 0.32
KCNH2 Q12809 2/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
TACR1 P25103 1/20 0.31
HDAC2 Q92769 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4306206 0.82 SLC6A2 (0.69) SLC6A4SLC6A2SLC6A3
SCHEMBL4306139 0.69 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3DRD2CHRNA7
SCHEMBL4310278 0.67 SLC6A2 (0.74) SLC6A4SLC6A2SLC6A3
SCHEMBL4307717 0.66 SLC6A2 (0.71) SLC6A4SLC6A2SLC6A3
SCHEMBL4308015 0.64 SLC6A2 (0.72) SLC6A4SLC6A2SLC6A3
SCHEMBL4305841 0.64 SLC6A2 (0.75) SLC6A4SLC6A2SLC6A3
SCHEMBL4305852 0.64 SLC6A2 (0.76) SLC6A4SLC6A2SLC6A3
SCHEMBL4306474 0.64 SLC6A2 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL4311061 0.63 SLC6A3 (0.64) SLC6A4SLC6A2SLC6A3
SCHEMBL4312785 0.63 SLC6A2 (0.76) SLC6A4SLC6A2SLC6A3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541357-B2 Aryl- and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin AMR TECHNOLOGY, INC. (US) 2009-06-02 US disclosed
US-20060052378-A1 Psychological disorders; analgesics; eating disorders; drug abuse; 4-(8-chloro-naphthalen-2-yl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol; 7-(6-methoxy-pyrazin-2yl)-2-methyl-4-(naphthalene-2-yl)-1,2,3,4-tetrahydroisoquinoline; treating amide intermediates with sodium borohydride CURIA GLOBAL, INC. 2006-03-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060052378-A1 Psychological disorders; analgesics; eating disorders; drug abuse; 4-(8-chloro-naphthalen-2-yl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol; 7-(6-methoxy-pyrazin-2yl)-2-methyl-4-(naphthalene-2-yl)-1,2,3,4-tetrahydroisoquinoline; treating amide intermediates with sodium borohydride OPRK1, OPRL1, OPRD1 SLC6A4 12/4885SLC6A2 7/4885SLC6A3 11/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.